ChemicalBook--->CAS DataBase List--->1141894-75-8

1141894-75-8

1141894-75-8 Structure

1141894-75-8 Structure
IdentificationBack Directory
[Name]

4-Aminomethyl-3-trifluoromethyl-benzonitrile
[CAS]

1141894-75-8
[Synonyms]

4-Aminomethyl-3-trifluoromethyl-benzonitrile
Benzonitrile, 4-(aminomethyl)-3-(trifluoromethyl)-
[Molecular Formula]

C9H7F3N2
[MDL Number]

MFCD22492240
[MOL File]

1141894-75-8.mol
[Molecular Weight]

200.16
Chemical PropertiesBack Directory
[Boiling point ]

259.4±40.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

7.67±0.10(Predicted)
[Appearance]

White to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

4-Aminomethyl-3-trifluoromethyl-benzonitrile(1141894-75-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(bromomethyl)-3-(trifluoromethyl)benzonitrile

853368-32-8

4-Aminomethyl-3-trifluoromethyl-benzonitrile

1141894-75-8

Step 2: Synthesis of 4-(aminomethyl)-3-(trifluoromethyl)benzonitrile; 4-(bromomethyl)-3-(trifluoromethyl)benzonitrile (14 g, 0.05 mol) was dissolved in 500 mL of methanol. A methanolic solution of 5 M ammonia (100 mL, 0.5 mol) was slowly added and the reaction was stirred for 24 h at room temperature. After completion of the reaction, the solvent was removed by rotary evaporator under reduced pressure to give a yellow solid crude product. The crude product was dissolved in 1M hydrochloric acid solution (100 mL) and extracted with ether (3 x 30 mL) to remove non-basic impurities. Subsequently, the pH of the aqueous phase was adjusted to 9-10 with 1M sodium hydroxide solution and the target product was extracted with dichloromethane (3 x 80 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 4-(aminomethyl)-3-(trifluoromethyl)benzonitrile (4.7 g, 23 mmol, 43% yield) as a yellow solid. Mass spectrum (electrospray ionization) m/e: 201 [M+H]+.

[References]

[1] Patent: WO2009/49165, 2009, A1. Location in patent: Page/Page column 24
[2] Patent: WO2009/49157, 2009, A1. Location in patent: Page/Page column 37-38
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